U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScSiAu by Materials Project
Abstract
ScAuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. All Sc–Au bond lengths are 2.87 Å. All Sc–Si bond lengths are 3.19 Å. In the second Sc3+ site, Sc3+ is bonded in a 12-coordinate geometry to six equivalent Si4- atoms. All Sc–Si bond lengths are 2.83 Å. Au1+ is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three equivalent Si4- atoms. All Au–Si bond lengths are 2.52 Å. Si4- is bonded in a 3-coordinate geometry to six Sc3+, three equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.80 Å.
- Publication Date:
- Other Number(s):
- mp-9023
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-Sc-Si; ScSiAu; crystal structure
- OSTI Identifier:
- 1312923
- DOI:
- https://doi.org/10.17188/1312923
Citation Formats
Materials Data on ScSiAu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312923.
Materials Data on ScSiAu by Materials Project. United States. doi:https://doi.org/10.17188/1312923
2020.
"Materials Data on ScSiAu by Materials Project". United States. doi:https://doi.org/10.17188/1312923. https://www.osti.gov/servlets/purl/1312923. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1312923,
title = {Materials Data on ScSiAu by Materials Project},
abstractNote = {ScAuSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. All Sc–Au bond lengths are 2.87 Å. All Sc–Si bond lengths are 3.19 Å. In the second Sc3+ site, Sc3+ is bonded in a 12-coordinate geometry to six equivalent Si4- atoms. All Sc–Si bond lengths are 2.83 Å. Au1+ is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three equivalent Si4- atoms. All Au–Si bond lengths are 2.52 Å. Si4- is bonded in a 3-coordinate geometry to six Sc3+, three equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.80 Å.},
doi = {10.17188/1312923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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